3-[10-(1,3-benzothiazol-3-ium-3-yl)decyl]-5-methyl-1,3-benzothiazol-3-ium

Systemtic Name: 3-[10-(1,3-benzothiazol-3-ium-3-yl)decyl]-5-methyl-1,3-benzothiazol-3-ium Openeye Name: 3-[10-(1,3-benzothiazol-3-ium-3-yl)decyl]-5-methyl-1,3-benzothiazol-3-ium CAS Name: 3-[10-(1,3-benzothiazol-3-ium-3-yl)decyl]-5-methyl-1,3-benzothiazol-3-ium IUPAC Name: 3-[10-(1,3-benzothiazol-3-ium-3-yl)decyl]-5-methyl-1,3-benzothiazol-3-ium Traditional Name: 3-[10-(1,3-benzothiazol-3-ium-3-yl)decyl]-5-methyl-1,3-benzothiazol-3-ium Formula: C25H32N2S2+2 MolecularWeight: 424.66498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC=[N+]2CCCCCCCCCC[N+]3=CSC4=CC=CC=C43

Isomeric SMILES

CC1=CC2=C(C=C1)SC=[N+]2CCCCCCCCCC[N+]3=CSC4=CC=CC=C43

InChI

InChI=1S/C25H32N2S2/c1-21-14-15-25-23(18-21)27(20-29-25)17-11-7-5-3-2-4-6-10-16-26-19-28-24-13-9-8-12-22(24)26/h8-9,12-15,18-20H,2-7,10-11,16-17H2,1H3/q+2